ChemSpider 2D Image | pedunculosumoside D | C27H30O12

pedunculosumoside D

  • Molecular FormulaC27H30O12
  • Average mass546.520 Da
  • Monoisotopic mass546.173706 Da
  • ChemSpider ID30785548

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1283600-06-5 [RN]
2-[3,4-Dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-5-hydroxy-3-(hydroxymethyl)-4-oxo-4H-chromen-7-yl β-D-glucopyranoside [ACD/IUPAC Name]
2-[3,4-Dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-5-hydroxy-3-(hydroxymethyl)-4-oxo-4H-chromen-7-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[3,4-dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-7-(β-D-glucopyranosyloxy)-5-hydroxy-3-(hydroxymethyl)- [ACD/Index Name]
pedunculosumoside D
β-D-Glucopyranoside de 2-[3,4-dihydroxy-5-(3-méthyl-2-butén-1-yl)phényl]-5-hydroxy-3-(hydroxyméthyl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
2-[3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-5-hydroxy-3-(hydroxymethyl)-4-oxo-4H-chromen-7-yl β-D-glucopyranoside
5'-(3-methyl-2-buten-1-yl)ophioglonol 7-O-β-D-glucopyranoside
  • Miscellaneous

    • Chemical Class:

      A homoflavonoid glycoside that is 5<apostrophe/>-prenylophioglonol attached to a <stereo>beta</stereo>-<stereo>D</stereo>-glucopyranosyl residue at position 7 via a glycosidic linkage. It has been iso lated from the whole plants of <ital>Ophioglossum pedunculosum</ital>. ChEBI CHEBI:67876
      A homoflavonoid glycoside that is 5'-prenylophioglonol attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It has been iso; lated from the whole plants of Ophioglossum pedunculosum. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:67876
      A homoflavonoid glycoside that is 5'-prenylophioglonol attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It has been isolated from the whole plants of Ophioglossum pe dunculosum. ChEBI CHEBI:67876

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 894.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.2±3.0 kJ/mol
Flash Point: 298.8±27.8 °C
Index of Refraction: 1.689
Molar Refractivity: 135.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.14
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 2.17
ACD/KOC (pH 5.5): 57.10
ACD/LogD (pH 7.4): -0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.63
Polar Surface Area: 207 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 81.9±3.0 dyne/cm
Molar Volume: 354.0±3.0 cm3

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